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ALA5267321 Name:
(2R)-3-(((2S)-2-amino-3-((1-methoxybutan-2-yl)amino)-3-oxopropyl)thio)propaShow More⌵
Mol. Formula:
C35H68N2O6S
M.W.:
645.00
Type:
---
AlogP:
7.88
Polar Surface Area:
116.95
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
32
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA5267159 Name:
(5R,11R)-30-amino-11-(hydroxymethyl)-6,9,12,16-tetraoxo-5-(17-oxo-6,9,12,19Show More⌵
Mol. Formula:
C54H103N7O17S
M.W.:
1154.52
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5267139 Name:
((14S,18R)-14-amino-18-(dodecyloxy)-13-oxo-3,6,9,20-tetraoxa-16-thia-12-azaShow More⌵
Mol. Formula:
C38H79N2O9PS
M.W.:
771.10
Type:
---
AlogP:
7.63
Polar Surface Area:
158.80
HBA:
9
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
42
Passes Ro3:
N
QED Weighted:
0.04
DETAILS
CLOSE
ALA5266820 Name:
(R)-3-(((S)-2-amino-3-oxo-3-((2-(pyridin-4-yl)ethyl)amino)propyl)thio)propaShow More⌵
Mol. Formula:
C37H65N3O5S
M.W.:
664.01
Type:
---
AlogP:
8.10
Polar Surface Area:
120.61
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
31
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA5266345 Name:
((6R,9S,13R)-9-amino-13-(dodecanoyloxy)-6-methyl-8,16-dioxo-4,15-dioxa-11-tShow More⌵
Mol. Formula:
C36H71N2O9PS
M.W.:
739.01
Type:
---
AlogP:
7.43
Polar Surface Area:
174.48
HBA:
9
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
35
Passes Ro3:
N
QED Weighted:
0.03
DETAILS
CLOSE
ALA5265980 Name:
((12S,16R)-12-amino-16-(dodecanoyloxy)-1,1-difluoro-11,19-dioxo-4,7,18-trioShow More⌵
Mol. Formula:
C37H71F2N2O10PS
M.W.:
805.02
Type:
---
AlogP:
7.65
Polar Surface Area:
183.71
HBA:
10
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
38
Passes Ro3:
N
QED Weighted:
0.03
DETAILS
CLOSE
ALA5282681 Name:
(3-((1-((S)-2-amino-3-(((R)-2,3-bis(dodecanoyloxy)propyl)thio)propanamido)cShow More⌵
Mol. Formula:
C37H71N2O9PS
M.W.:
751.02
Type:
---
AlogP:
7.58
Polar Surface Area:
174.48
HBA:
9
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
35
Passes Ro3:
N
QED Weighted:
0.03
DETAILS
CLOSE
ALA5282629 Name:
(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,32S,35S,38S,41S,44S,47R)-14-((1H-indoShow More⌵
Mol. Formula:
C131H235N21O25S2
M.W.:
2568.58
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5282575 Name:
(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,32S,35S,38S,41S,44S,47S)-14-((1H-indoShow More⌵
Mol. Formula:
C116H207N21O24S2
M.W.:
2344.19
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5282528 Name:
((17S,21R)-17-amino-21-(dodecanoyloxy)-16,24-dioxo-3,6,9,12,23-pentaoxa-19-Show More⌵
Mol. Formula:
C40H79N2O12PS
M.W.:
843.12
Type:
---
AlogP:
6.70
Polar Surface Area:
202.17
HBA:
12
HBD:
4
#RO5 Violations:
3
#Rotatable Bonds:
43
Passes Ro3:
N
QED Weighted:
0.03
DETAILS
CLOSE
ALA5282436 Name:
(R)-3-(((S)-2-amino-3-((1-hydroxy-2-methylpropan-2-yl)amino)-3-oxopropyl)thShow More⌵
Mol. Formula:
C34H66N2O6S
M.W.:
630.98
Type:
---
AlogP:
7.23
Polar Surface Area:
127.95
HBA:
8
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
30
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA5281185 Name:
(5-((S)-2-amino-3-(((R)-2,3-bis(dodecanoyloxy)propyl)thio)propanamido)-2-meShow More⌵
Mol. Formula:
C34H65F2N2O8PS
M.W.:
730.94
Type:
---
AlogP:
8.01
Polar Surface Area:
165.25
HBA:
8
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
33
Passes Ro3:
N
QED Weighted:
0.03
DETAILS
CLOSE
ALA5281101 Name:
(5S,8S,11S,14S,17S,20S)-1-amino-8,11,14-tris(4-aminobutyl)-24-(hexanoyloxy)Show More⌵
Mol. Formula:
C53H92N10O13S
M.W.:
1109.44
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5280723 Name:
(R)-3-(((S)-2-amino-3-oxo-3-((4-phenoxyphenethyl)amino)propyl)thio)propane-Show More⌵
Mol. Formula:
C44H70N2O6S
M.W.:
755.12
Type:
---
AlogP:
10.49
Polar Surface Area:
116.95
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
33
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA5280631 Name:
(20S,24R)-2,20-diamino-1-mercapto-3,19-dioxo-8,11,14-trioxa-22-thia-4,18-diShow More⌵
Mol. Formula:
C43H84N4O9S2
M.W.:
865.30
Type:
---
AlogP:
6.66
Polar Surface Area:
190.53
HBA:
13
HBD:
5
#RO5 Violations:
3
#Rotatable Bonds:
44
Passes Ro3:
N
QED Weighted:
0.02
DETAILS
CLOSE
ALA5280509 Name:
(5S,8S,11S,14S,17S,20S)-1-amino-8,11,14-tris(4-aminobutyl)-17-(hydroxymethyShow More⌵
Mol. Formula:
C63H120N10O13S
M.W.:
1257.78
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5280491 Name:
(15S,18S,22R)-18-amino-22-(dodecanoyloxy)-15-(hydroxymethyl)-14,17,25-trioxShow More⌵
Mol. Formula:
C42H79N3O12S
M.W.:
850.17
Type:
---
AlogP:
5.46
Polar Surface Area:
222.04
HBA:
13
HBD:
5
#RO5 Violations:
3
#Rotatable Bonds:
43
Passes Ro3:
N
QED Weighted:
0.04
DETAILS
CLOSE
ALA5280186 Name:
(5S,8S,11S,14S,17S,20S)-1-amino-8,11,14-tris(4-aminobutyl)-24-(hexanoyloxy)Show More⌵
Mol. Formula:
C59H112N10O13S
M.W.:
1201.67
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5279865 Name:
(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,32S,35S,38S,41S,44S,47S)-14-((1H-indoShow More⌵
Mol. Formula:
C131H235N21O25S2
M.W.:
2568.58
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5279608 Name:
(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,32S,35S,38S,41S,44S,47R)-14-((1H-indoShow More⌵
Mol. Formula:
C118H211N21O24S2
M.W.:
2372.24
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
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